C41h49fn5o8p cytidine, n-acetyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' - deoxy-2 '-fluoro-, 3' - [2-Cianoetil n, N-BIS (1-metilethil) fosforoa]
CAS Erregistroaren zenbakia
159414-99-0
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 789,83 | - |
pka (aurreikusita) | 10.11 ± 0,20 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (F) C (oc1coc (cc = cc) c = c3) c = c3) c = c3) c = c3) c = c3) c = c3) n5c = cc (= nc5 = o) n (c (c) c) c (c) c
Irribarre isomerikoak
C (oc [c @@ h] 1 [c @@ c) c) occc # n) [c) c) occc # n) [c) [c) [c) [c) [c) [c) (f@) (f@) (c)) (c3 = cc = c (c) c = c3) (c3 = c) (c3) (c3 = cc = c) (Oc) c = c4) c5 = cc = cc = c5
Inchi
Inchi = 1S / C41H49FN5O8P / C1-27 (2) 47 (28 (3) 43-43-43-43) 55-38-35 (54-39 (37) (37) 42) 46-24-22-36 (44-29 (5) 48) 45-40 (46) 49) 26-52- 41 (30-12-9-8-10-10-13-31-31-15-15-15-31) 32-16-31-34 (51-7) 21-17-32 / h8-10,12-22,24,27-39: 11,25-26h2,1-7h3, (h, 44,45,48,49) / t35-, 37-, 38-, 39-, 56 / m1 / s1
Inchi gakoa
Cnfkjkdsrxnfl-utxremqhsa-n
1 Substantzia honetarako beste izen bat
Cytidine,N-Acetyl-5 '-O- [BIS (4-metoxyphenyl) fenilmetilia] -2 '-deoxy-2' -fluoro-, 3 '- [2-Cianoethil bis (metilethil) fosforoa] (9ci)
Espektroak eskuragarri
Mordo
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 8,60 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 90.3 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 3940 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 39100 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 64300 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 68100 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 68300 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 66800 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 54300 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 19200 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Baldintza | Iturri |
Koc | 12.6 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 133 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 5790 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 57400 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 94500 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1,00 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1,00 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 98200 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 79700 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 28200 | pH 10; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
sintika | 2,96 | pH 1; Temp: 25 ° C | (1) ACD |
sintika | 3,99 | PH 2; Temp: 25 ° C | (1) ACD |
sintika | 543 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 6,14 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 6,61 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 6,66 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 6,66 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 6,65 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 6,56 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 60.11 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 6.666 ± 0,764 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 4,5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 0,36 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 0,035 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 7,90 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 7,9 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4,8 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4.6 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4.6 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4,7 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 5,7 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1,6 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4.6 x 10-5 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 5,7 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,6 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4.4 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,00 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.0 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 6,1 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,8 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,8 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,9 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 7,2 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2.0 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,8 x 10-8 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 789,83 | ||
pka | 10.11 ± 0,20 | Gai azido gehienak: 25 ° C | (1) ACD |
pka | 3.57 ± 0,20 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Egoeraren iturria |
Azalera polarra | 158 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)